| Identification | Back Directory | [Name]
(-)-(18-CROWN-6)-2 3 11 12-TETRACARBOXY& | [CAS]
73891-15-3 | [Synonyms]
(-)-(18-CROWN-6)-2 3 11 12-TETRACARBOXY&
(-)-(18-Crown-6)-2,3,11,12-tetracarboxylic Acid
1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid, (2S,3S,11S,12S)- | [Molecular Formula]
C16H24O14 | [MDL Number]
MFCD03454044 | [MOL File]
73891-15-3.mol | [Molecular Weight]
440.35 |
| Chemical Properties | Back Directory | [Melting point ]
208-210 °C(lit.) | [Boiling point ]
798.884±60.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.400±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [solubility ]
DMSO (Slightly), Methanol (Slightly, Heated, Sonicated), Water (Slightly) | [form ]
Solid | [pka]
4.29 (carboxylic acid) | [color ]
White to Pale Pink | [Optical Rotation]
[α]20/D 65 in 1% methanol | [Stability:]
Hygroscopic | [InChI]
1S/C16H24O14/c17-13(18)9-10(14(19)20)29-7-3-26-4-8-30-12(16(23)24)11(15(21)22)28-6-2-25-1-5-27-9/h9-12H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24) | [InChIKey]
FZERLKNAJSFDSQ-UHFFFAOYSA-N | [SMILES]
O1C(C(OCCOCCOC(C(OCCOCC1)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Reactant for:
Preparation of optically active lysine-specific demethylase 1 inhibitor NCL-1 as a potential antitumor agent
Used as:
Chiral NMR solvating agent for determining the enantiomeric purity and absolute configuration of β-amino acids |
|
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Sigma-Aldrich
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Energy Chemical
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http://www.energy-chemical.com |
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